Please use this identifier to cite or link to this item:
https://olympias.lib.uoi.gr/jspui/handle/123456789/14114| Title: | A programmable optimization environment using the GAMESS-US and MERLIN/MCL packages. Applications on intermolecular interaction energies |
| Institution and School/Department of submitter: | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μηχανικών Επιστήμης Υλικών |
| Keywords: | merlin,mcl,gamess-us,geometry optimization strategies,basis set superposition error,intermolecular interaction energies,ab initio potential energy scans,benzene-water dimer,hydrogen-bonds |
| URI: | https://olympias.lib.uoi.gr/jspui/handle/123456789/14114 |
| ISSN: | 0010-4655 |
| Link: | <Go to ISI>://000240301300006 http://ac.els-cdn.com/S0010465506001925/1-s2.0-S0010465506001925-main.pdf?_tid=8cc99f310fa17b878cd05781ed5e9e3a&acdnat=1339753130_39a04b9518ed509eff93f408257fcf09 |
| Publisher: | Elsevier |
| Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά) |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Kalatzis-2006-A programmable optim.pdf | 265.26 kB | Adobe PDF | View/Open Request a copy |
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